(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H21N3O7/c1-13(26)24-20(8-14-9-23-19-5-3-2-4-18(14)19)22(27)31-11-16-7-17(25(28)29)6-15-10-30-12-32-21(15)16/h2-7,9,20,23H,8,10-12H2,1H3,(H,24,26)